Geometry & MOs

Info

ID:	71393
PubChem CID:	48414775
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	67.58
Dipole, Da:	3.71
IP(EA), eV:	-8.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-but-3-ynylpiperazine-1-carbonyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CCC#C)C4=CC=CC=C4

DOS

IR

Vibrations